N-tert-butyl-2-[[2-(trifluoromethylsulfanyl)acetyl]amino]propanamide

C10H17F3N2O2S — CID 60587391

IUPACN-tert-butyl-2-[[2-(trifluoromethylsulfanyl)acetyl]amino]propanamide
SMILESCC(NC(=O)CSC(F)(F)F)C(=O)NC(C)(C)C
InChIInChI=1S/C10H17F3N2O2S/c1-6(8(17)15-9(2,3)4)14-7(16)5-18-10(11,12)13/h6H,5H2,1-4H3,(H,14,16)(H,15,17)
InChIKeyHGSYJOBRRBPTGC-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.66
Rot. Bonds4

About N-tert-butyl-2-[[2-(trifluoromethylsulfanyl)acetyl]amino]propanamide

N-tert-butyl-2-[[2-(trifluoromethylsulfanyl)acetyl]amino]propanamide (PubChem CID 60587391) has the molecular formula C10H17F3N2O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-(trifluoromethylsulfanyl)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-(trifluoromethylsulfanyl)acetyl]amino]propanamide
PubChem CID60587391
Molecular FormulaC10H17F3N2O2S
Molecular Weight286.32 g/mol
Exact Mass286.10
IUPAC NameN-tert-butyl-2-[[2-(trifluoromethylsulfanyl)acetyl]amino]propanamide
SMILESCC(NC(=O)CSC(F)(F)F)C(=O)NC(C)(C)C
InChIInChI=1S/C10H17F3N2O2S/c1-6(8(17)15-9(2,3)4)14-7(16)5-18-10(11,12)13/h6H,5H2,1-4H3,(H,14,16)(H,15,17)
InChIKeyHGSYJOBRRBPTGC-UHFFFAOYSA-N
XLogP1.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-(trifluoromethylsulfanyl)acetyl]amino]propanamide?
The IUPAC name of N-tert-butyl-2-[[2-(trifluoromethylsulfanyl)acetyl]amino]propanamide (CID 60587391) is N-tert-butyl-2-[[2-(trifluoromethylsulfanyl)acetyl]amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[[2-(trifluoromethylsulfanyl)acetyl]amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[[2-(trifluoromethylsulfanyl)acetyl]amino]propanamide is CC(NC(=O)CSC(F)(F)F)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[[2-(trifluoromethylsulfanyl)acetyl]amino]propanamide?
The InChIKey is HGSYJOBRRBPTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2S/c1-6(8(17)15-9(2,3)4)14-7(16)5-18-10(11,12)13/h6H,5H2,1-4H3,(H,14,16)(H,15,17).
What are the key properties of N-tert-butyl-2-[[2-(trifluoromethylsulfanyl)acetyl]amino]propanamide?
N-tert-butyl-2-[[2-(trifluoromethylsulfanyl)acetyl]amino]propanamide has a molecular weight of 286.32 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-(trifluoromethylsulfanyl)acetyl]amino]propanamide is sourced from PubChem (CID 60587391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).